原子シミュレーションによる結晶と非晶質の混在組織における力学特性解析

抄録

Excellent mechanical properties can be obtained by composing different nature materials. In this study, we investigate the mechanical properties of composite materials of crystal and amorphous phases through molecular dynamics simulations. Composite materials consist of two kinds of atoms with different radii, atom S and atom L. To obtain various composite structures, the mixing rate of atom S and the interatomic force between S and L are changed. All atomic models are classified into the single phase of crystal structure or amorphous structure and the multi phases of crystal and amorphous structures. Tensile deformation tests reveal that the strength of the multi phases shows smaller than that of the single phases; hence, the heterointerface between crystal and amorphous regions possibly weakens the strength of the composite materials.